1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide

C24H26FN3O5S — CID 55900762

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide (PubChem CID 55900762) has the molecular formula C24H26FN3O5S and a molecular weight of 487.55 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide
• PubChem CID: 55900762
• Molecular Formula: C24H26FN3O5S
• Molecular Weight: 487.55 g/mol
• Exact Mass: 487.16
• IUPAC Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide
• SMILES: Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)C1
• InChI: InChI=1S/C24H26FN3O5S/c1-16-23(17(2)33-27-16)34(30,31)28-11-5-7-19(14-28)24(29)26-21-9-4-10-22(13-21)32-15-18-6-3-8-20(25)12-18/h3-4,6,8-10,12-13,19H,5,7,11,14-15H2,1-2H3,(H,26,29)
• InChIKey: RJQVULCTFPCDQF-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 101.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.55
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide?

The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide (CID 55900762) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)C1.

What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide?

The InChIKey is RJQVULCTFPCDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O5S/c1-16-23(17(2)33-27-16)34(30,31)28-11-5-7-19(14-28)24(29)26-21-9-4-10-22(13-21)32-15-18-6-3-8-20(25)12-18/h3-4,6,8-10,12-13,19H,5,7,11,14-15H2,1-2H3,(H,26,29).

What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide?

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide has a molecular weight of 487.55 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55900762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).